Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLU 58.A O no hydrogen 2.859 N/A VAL 5.A N GLU 29.A O no hydrogen 2.876 N/A PHE 6.A N ALA 56.A O no hydrogen 2.852 N/A GLY 7.A N VAL 31.A O no hydrogen 3.046 N/A HIS 8.A N THR 14.A OG1 no hydrogen 3.403 N/A ALA 10.A N HIS 8.A ND1 no hydrogen 3.156 N/A SER 11.A N HIS 8.A O no hydrogen 3.007 N/A SER 11.A OG THR 14.A OG1 no hydrogen 2.954 N/A THR 14.A N SER 11.A OG no hydrogen 2.911 N/A THR 14.A OG1 SER 11.A OG no hydrogen 2.954 N/A ARG 15.A N SER 11.A O no hydrogen 2.862 N/A ARG 15.A NE PRO 9.A O no hydrogen 2.759 N/A ARG 15.A NH2 PRO 9.A O no hydrogen 3.396 N/A ARG 16.A N ILE 12.A O no hydrogen 3.050 N/A ARG 16.A NE SER 67.A OG no hydrogen 3.254 N/A ARG 16.A NH1 HIS 171.A O no hydrogen 2.998 N/A LEU 18.A N THR 14.A O no hydrogen 2.993 N/A ILE 19.A N ARG 15.A O no hydrogen 2.828 N/A ALA 20.A N ARG 16.A O no hydrogen 3.242 N/A LEU 21.A N VAL 17.A O no hydrogen 2.957 N/A HIS 22.A N LEU 18.A O no hydrogen 2.943 N/A GLU 23.A N ILE 19.A O no hydrogen 2.842 N/A LYS 24.A N ALA 20.A O no hydrogen 3.161 N/A LYS 24.A N LEU 21.A O no hydrogen 3.134 N/A LYS 24.A NZ TYR 78.A O no hydrogen 2.919 N/A LYS 24.A NZ GLU 79.A O no hydrogen 3.327 N/A LYS 24.A NZ GLN 81.A O no hydrogen 2.978 N/A LYS 24.A NZ THR 83.A O no hydrogen 2.672 N/A ASN 25.A N HIS 22.A O no hydrogen 3.000 N/A LEU 26.A N LEU 21.A O no hydrogen 3.060 N/A GLU 29.A N ILE 3.A O no hydrogen 3.007 N/A VAL 31.A N VAL 5.A O no hydrogen 2.743 N/A VAL 33.A N GLY 7.A O no hydrogen 2.796 N/A GLU 34.A N GLU 39.A OE1 no hydrogen 2.703 N/A ASP 37.A N GLU 34.A O no hydrogen 3.203 N/A GLY 38.A N LEU 35.A O no hydrogen 2.764 N/A GLU 39.A N GLU 34.A O no hydrogen 3.166 N/A LYS 41.A N GLY 38.A O no hydrogen 2.988 N/A LYS 42.A N GLU 39.A O no hydrogen 3.295 N/A LEU 46.A N LYS 42.A O no hydrogen 3.011 N/A SER 47.A N PRO 44.A O no hydrogen 3.027 N/A SER 47.A OG GLU 43.A OE1 no hydrogen 2.421 N/A SER 47.A OG GLU 43.A OE2 no hydrogen 3.326 N/A ARG 48.A N PHE 45.A O no hydrogen 2.804 N/A ASN 49.A N PHE 45.A O no hydrogen 2.955 N/A ASN 49.A ND2 GLN 53.A O no hydrogen 2.831 N/A PHE 51.A N ASN 49.A OD1 no hydrogen 2.899 N/A GLY 52.A N ASN 49.A O no hydrogen 2.894 N/A ALA 56.A N PHE 6.A O no hydrogen 2.902 N/A PHE 57.A N LEU 64.A O no hydrogen 2.860 N/A GLU 58.A N LYS 4.A O no hydrogen 2.904 N/A ASP 59.A N LEU 62.A O no hydrogen 2.904 N/A GLY 60.A N GLY 2.A O no hydrogen 3.035 N/A LEU 62.A N ASP 59.A O no hydrogen 3.015 N/A LEU 64.A N PHE 57.A O no hydrogen 2.828 N/A ARG 68.A NE GLU 106.A OE1 no hydrogen 2.762 N/A ARG 68.A NH2 GLU 106.A OE1 no hydrogen 3.074 N/A ARG 68.A NH2 GLU 106.A OE2 no hydrogen 3.117 N/A ARG 68.A NH2 ASP 111.A OD2 no hydrogen 3.094 N/A ILE 70.A N GLU 66.A O no hydrogen 3.042 N/A THR 71.A N SER 67.A O no hydrogen 2.882 N/A THR 71.A OG1 SER 67.A O no hydrogen 3.467 N/A THR 71.A OG1 ARG 68.A O no hydrogen 3.238 N/A THR 71.A OG1 HIS 171.A NE2 no hydrogen 2.707 N/A GLN 72.A N ARG 68.A O no hydrogen 3.280 N/A TYR 73.A N ALA 69.A O no hydrogen 3.031 N/A TYR 73.A OH ASP 59.A OD2 no hydrogen 2.627 N/A ILE 74.A N ILE 70.A O no hydrogen 2.960 N/A ALA 75.A N THR 71.A O no hydrogen 2.916 N/A HIS 76.A N GLN 72.A O no hydrogen 3.041 N/A HIS 76.A N TYR 73.A O no hydrogen 3.204 N/A HIS 76.A ND1 GLN 72.A O no hydrogen 3.157 N/A ARG 77.A N TYR 73.A O no hydrogen 2.725 N/A ARG 77.A NH1 ARG 77.A O no hydrogen 2.947 N/A TYR 78.A N ILE 74.A O no hydrogen 2.968 N/A TYR 78.A OH ASP 59.A OD1 no hydrogen 3.339 N/A TYR 78.A OH ASP 59.A OD2 no hydrogen 2.537 N/A GLU 79.A N HIS 76.A O no hydrogen 3.255 N/A GLN 81.A N TYR 78.A O no hydrogen 3.166 N/A THR 83.A N GLU 23.A O no hydrogen 2.953 N/A THR 83.A OG1 GLU 23.A O no hydrogen 3.295 N/A THR 83.A OG1 GLU 23.A OE1 no hydrogen 2.601 N/A ASN 84.A ND2 GLN 87.A O no hydrogen 3.026 N/A LEU 86.A N ASN 84.A OD1 no hydrogen 3.075 N/A SER 90.A OG GLU 79.A OE2 no hydrogen 2.486 N/A LYS 91.A N ASP 89.A OD1 no hydrogen 3.347 N/A ASN 92.A N ASP 89.A O no hydrogen 3.201 N/A SER 94.A OG ASN 92.A OD1 no hydrogen 3.091 N/A GLN 95.A N ASN 92.A OD1 no hydrogen 3.043 N/A TYR 96.A N ASN 92.A O no hydrogen 2.936 N/A ALA 97.A N ILE 93.A O no hydrogen 2.986 N/A ILE 98.A N SER 94.A O no hydrogen 3.124 N/A MET 99.A N GLN 95.A O no hydrogen 3.165 N/A ALA 100.A N TYR 96.A O no hydrogen 2.811 N/A ILE 101.A N ALA 97.A O no hydrogen 2.924 N/A GLY 102.A N ILE 98.A O no hydrogen 3.357 N/A MET 103.A N MET 99.A O no hydrogen 2.979 N/A GLN 104.A N ALA 100.A O no hydrogen 2.969 N/A VAL 105.A N ILE 101.A O no hydrogen 2.834 N/A GLU 106.A N GLY 102.A O no hydrogen 2.891 N/A ASP 107.A N MET 103.A O no hydrogen 3.132 N/A HIS 108.A N GLN 104.A O no hydrogen 2.847 N/A GLN 109.A N VAL 105.A O no hydrogen 2.762 N/A PHE 110.A N VAL 105.A O no hydrogen 3.257 N/A ASP 111.A N GLU 106.A O no hydrogen 2.812 N/A ALA 114.A N PHE 110.A O no hydrogen 2.871 N/A SER 115.A N ASP 111.A O no hydrogen 2.809 N/A LYS 116.A N PRO 112.A O no hydrogen 3.203 N/A LEU 117.A N VAL 113.A O no hydrogen 3.005 N/A ALA 118.A N ALA 114.A O no hydrogen 2.926 N/A PHE 119.A N SER 115.A O no hydrogen 2.974 N/A GLU 120.A N LYS 116.A O no hydrogen 2.915 N/A GLN 121.A N LEU 117.A O no hydrogen 3.147 N/A ILE 122.A N ALA 118.A O no hydrogen 2.768 N/A PHE 123.A N ALA 118.A O no hydrogen 3.254 N/A LYS 124.A N PHE 119.A O no hydrogen 2.905 N/A LYS 124.A NZ GLU 120.A OE1 no hydrogen 2.898 N/A LYS 124.A NZ GLU 120.A OE2 no hydrogen 3.435 N/A LYS 124.A NZ THR 130.A O no hydrogen 3.435 N/A SER 125.A OG GLN 121.A O no hydrogen 3.142 N/A ILE 126.A N ILE 122.A O no hydrogen 3.219 N/A ILE 126.A N PHE 123.A O no hydrogen 3.220 N/A TYR 127.A N LYS 124.A O no hydrogen 3.085 N/A GLY 128.A N SER 125.A O no hydrogen 3.157 N/A LEU 129.A N LYS 124.A O no hydrogen 3.076 N/A ASP 132.A N GLU 120.A OE1 no hydrogen 2.920 N/A ALA 134.A N ASP 132.A OD1 no hydrogen 3.042 N/A VAL 135.A N ASP 132.A OD1 no hydrogen 3.396 N/A VAL 136.A N ASP 132.A O no hydrogen 3.074 N/A ALA 137.A N GLU 133.A O no hydrogen 2.920 N/A GLU 138.A N ALA 134.A O no hydrogen 2.986 N/A GLU 139.A N VAL 135.A O no hydrogen 2.855 N/A GLU 140.A N VAL 136.A O no hydrogen 2.867 N/A ALA 141.A N ALA 137.A O no hydrogen 3.111 N/A LYS 142.A N GLU 138.A O no hydrogen 3.159 N/A LYS 142.A NZ GLU 139.A OE2 no hydrogen 2.694 N/A LEU 143.A N GLU 139.A O no hydrogen 2.813 N/A ALA 144.A N GLU 140.A O no hydrogen 2.747 N/A LYS 145.A N ALA 141.A O no hydrogen 3.247 N/A VAL 146.A N LYS 142.A O no hydrogen 3.126 N/A LEU 147.A N LEU 143.A O no hydrogen 2.862 N/A ASP 148.A N ALA 144.A O no hydrogen 2.826 N/A VAL 149.A N LYS 145.A O no hydrogen 3.275 N/A TYR 150.A N VAL 146.A O no hydrogen 3.006 N/A TYR 150.A OH HIS 172.A NE2 no hydrogen 2.696 N/A GLU 151.A N LEU 147.A O no hydrogen 2.772 N/A ALA 152.A N ASP 148.A O no hydrogen 3.210 N/A ARG 153.A N VAL 149.A O no hydrogen 2.944 N/A ARG 153.A NE LEU 160.A O no hydrogen 2.752 N/A ARG 153.A NH2 LEU 160.A O no hydrogen 2.996 N/A LEU 154.A N TYR 150.A O no hydrogen 2.695 N/A LYS 155.A N GLU 151.A O no hydrogen 2.975 N/A LYS 155.A N ALA 152.A O no hydrogen 3.297 N/A GLU 156.A N ARG 153.A O no hydrogen 3.081 N/A PHE 157.A N ARG 153.A O no hydrogen 3.078 N/A LYS 158.A N GLU 163.A OE2 no hydrogen 3.052 N/A TYR 159.A N GLY 162.A O no hydrogen 2.886 N/A LEU 160.A N ASP 169.A OD1 no hydrogen 3.118 N/A GLY 162.A N TYR 159.A O no hydrogen 3.430 N/A THR 166.A N ASP 169.A OD2 no hydrogen 2.935 N/A LEU 167.A N LEU 85.A O no hydrogen 2.982 N/A THR 168.A N THR 166.A OG1 no hydrogen 3.208 N/A THR 168.A OG1 MET 99.A O no hydrogen 2.945 N/A ASP 169.A N THR 166.A O no hydrogen 2.990 N/A LEU 170.A N THR 166.A O no hydrogen 3.013 N/A HIS 171.A N LEU 167.A O no hydrogen 2.935 N/A HIS 171.A NE2 THR 71.A OG1 no hydrogen 2.707 N/A HIS 172.A N ASP 169.A O no hydrogen 3.037 N/A HIS 172.A ND1 THR 168.A O no hydrogen 2.770 N/A HIS 172.A NE2 TYR 150.A OH no hydrogen 2.696 N/A ILE 173.A N LEU 170.A O no hydrogen 2.957 N/A ILE 176.A N HIS 172.A O no hydrogen 3.102 N/A GLN 177.A N ILE 173.A O no hydrogen 2.834 N/A GLN 177.A NE2 SER 207.A O no hydrogen 2.973 N/A TYR 178.A N PRO 174.A O no hydrogen 3.290 N/A TYR 178.A OH ALA 10.A O no hydrogen 2.577 N/A LEU 179.A N ALA 175.A O no hydrogen 2.975 N/A LEU 180.A N ILE 176.A O no hydrogen 2.911 N/A GLY 181.A N TYR 178.A O no hydrogen 2.989 N/A THR 182.A N LEU 179.A O no hydrogen 2.953 N/A THR 182.A OG1 LEU 179.A O no hydrogen 2.735 N/A THR 184.A N THR 182.A OG1 no hydrogen 3.068 N/A THR 184.A OG1 GLN 121.A OE1 no hydrogen 2.773 N/A THR 184.A OG1 GLU 140.A OE2 no hydrogen 2.712 N/A LYS 185.A N THR 182.A O no hydrogen 3.110 N/A LYS 186.A N PRO 183.A O no hydrogen 3.261 N/A LYS 186.A NZ GLU 190.A OE1 no hydrogen 2.874 N/A LYS 186.A NZ GLU 190.A OE2 no hydrogen 3.416 N/A LEU 187.A N THR 184.A O no hydrogen 2.980 N/A PHE 188.A N LYS 185.A O no hydrogen 2.997 N/A THR 189.A N LYS 185.A O no hydrogen 3.063 N/A THR 189.A OG1 LYS 185.A O no hydrogen 3.493 N/A THR 189.A OG1 LYS 186.A O no hydrogen 3.317 N/A GLU 190.A N LYS 186.A O no hydrogen 2.919 N/A ARG 191.A N PHE 188.A O no hydrogen 3.347 N/A ARG 191.A NE ASP 148.A OD1 no hydrogen 2.878 N/A ARG 191.A NH1 LEU 187.A O no hydrogen 2.821 N/A ARG 191.A NH1 GLU 190.A OE2 no hydrogen 2.966 N/A ARG 191.A NH2 ASP 148.A OD1 no hydrogen 3.068 N/A ARG 193.A N GLU 151.A OE2 no hydrogen 2.967 N/A ARG 193.A NE LEU 154.A O no hydrogen 2.688 N/A ARG 193.A NH1 GLU 196.A OE1 no hydrogen 2.929 N/A ARG 193.A NH2 LEU 154.A O no hydrogen 2.988 N/A ARG 193.A NH2 PHE 157.A O no hydrogen 3.154 N/A ARG 193.A NH2 LYS 158.A O no hydrogen 2.922 N/A VAL 194.A N GLU 151.A OE1 no hydrogen 2.882 N/A ASN 195.A N ARG 191.A O no hydrogen 2.765 N/A GLU 196.A N PRO 192.A O no hydrogen 3.052 N/A TRP 197.A N ARG 193.A O no hydrogen 2.902 N/A TRP 197.A NE1 ASP 169.A OD1 no hydrogen 2.829 N/A VAL 198.A N VAL 194.A O no hydrogen 2.850 N/A ALA 199.A N ASN 195.A O no hydrogen 2.942 N/A GLU 200.A N GLU 196.A O no hydrogen 2.935 N/A ILE 201.A N TRP 197.A O no hydrogen 2.955 N/A THR 202.A N VAL 198.A O no hydrogen 2.996 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.669 N/A THR 202.A OG1 ALA 199.A O no hydrogen 3.533 N/A LYS 203.A N ALA 199.A O no hydrogen 3.238 N/A ARG 204.A NH1 GLU 23.A OE1 no hydrogen 2.928 N/A ARG 204.A NH1 GLU 23.A OE2 no hydrogen 3.296 N/A SER 207.A OG ILE 201.A O no hydrogen 2.732 N/A GLU 208.A N ARG 204.A O no hydrogen 3.000 N/A LYS 209.A N PRO 205.A O no hydrogen 2.946 N/A VAL 210.A N SER 207.A O no hydrogen 3.277 N/A GLN 211.A N GLU 208.A O no hydrogen 3.259 N/A